8-{[(4-bromophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-bromophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
8-{[(4-bromophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | G856-8526 |
Compound Name: | 8-{[(4-bromophenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 395.28 |
Molecular Formula: | C15 H15 Br N4 O2 S |
Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.241 |
logD: | 3.241 |
logSw: | -3.342 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.04 |
InChI Key: | CEDJMKYNIWOPGM-UHFFFAOYSA-N |